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1,4,7,10,13,16-Hexaoxacyclooctadecane-2,12-dicarboxylic acid, 3,11-bis[(octylamino)carbonyl]-, [2R-(2R*,3R*,11R*,12R*)]-
SpectraBase Compound ID 6V0EY0eGQvI
InChI InChI=1S/C32H58N2O12/c1-3-5-7-9-11-13-15-33-29(35)25-27(31(37)38)45-23-19-42-20-24-46-28(32(39)40)26(44-22-18-41-17-21-43-25)30(36)34-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3,(H,33,35)(H,34,36)(H,37,38)(H,39,40)/t25-,26-,27-,28-/m1/s1
InChIKey YFKVMTDIYJUTGY-BIYDSLDMSA-N
Mol Weight 662.8 g/mol
Molecular Formula C32H58N2O12
Exact Mass 662.398975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOnR3LmeEDu
Name 1,4,7,10,13,16-Hexaoxacyclooctadecane-2,12-dicarboxylic acid, 3,11-bis[(octylamino)carbonyl]-, [2R-(2R*,3R*,11R*,12R*)]-
CAS Registry Number 88454-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H58N2O12
InChI InChI=1S/C32H58N2O12/c1-3-5-7-9-11-13-15-33-29(35)25-27(31(37)38)45-23-19-42-20-24-46-28(32(39)40)26(44-22-18-41-17-21-43-25)30(36)34-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3,(H,33,35)(H,34,36)(H,37,38)(H,39,40)/t25-,26-,27-,28-/m1/s1
InChIKey YFKVMTDIYJUTGY-BIYDSLDMSA-N
Molecular Weight 662.818 g/mol
SMILES OC([C@]1([C@@](OCCOCCO[C@]([C@](C(=O)O)(OCCOCCO1)[H])(C(=O)NCCCCCCCC)[H])(C(=O)NCCCCCCCC)[H])[H])=O
SPLASH splash10-001i-0900000000-ff632cf9fca2d0aa224a
Source of Spectrum J-49-760-0
Synonyms (2R,3R,11R,12R)-3,11-bis[(octylamino)carbonyl]-1,4,7,10,13,16-hexaoxacyclooctadecane-2,12-dicarboxylic acid Anti-(2R,3R,11R,12R,)-3,11-bis[(octylamino)carbonyl]-1,4,7,10,13,16-hexaoxacyclooctadecane-2,12-dicarboxylic acid
Wiley ID 1413631